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1-FLOURO-1-[(2-PYRIMIDYL)-THIO]-2-PROPANONE
SpectraBase Compound ID HNgjSvYluZH
InChI InChI=1S/C7H7FN2OS/c1-5(11)6(8)12-7-9-3-2-4-10-7/h2-4,6H,1H3
InChIKey NBUNEQMEESBCKX-UHFFFAOYSA-N
Mol Weight 186.2 g/mol
Molecular Formula C7H7FN2OS
Exact Mass 186.026312 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JwlFw3rYtV
Name 1-FLOURO-1-[(2-PYRIMIDYL)-THIO]-2-PROPANONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7FN2OS
InChI InChI=1S/C7H7FN2OS/c1-5(11)6(8)12-7-9-3-2-4-10-7/h2-4,6H,1H3
InChIKey NBUNEQMEESBCKX-UHFFFAOYSA-N
Literature Reference Author K.M.DAWOOD,S.HIGASHIYA,Y.HOU,T.FUCHIGAMI
Literature Reference Citation J.ORG.CHEM.,64,7935(1999)
Literature Reference DOI 10.1021/jo9909857
Molecular Weight 186.204 g/mol
Sample ID 60112
Solvent CDCl3